Structure of PDB 2vq5 Chain B Binding Site BS01

Receptor Information
>2vq5 Chain B (length=155) Species: 150094 (Thalictrum flavum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVTKVIHHELEVAASADDIWTVYSWPGLAKHLPDLLPGAFEKLEIIGDG
GVGTILDMTFVPGEFPHEYKEKFILVDNEHRLKKVQMIEGGYLDLGVTYY
MDTIHVVPTGKDSCVIKSSTEYHVKPEFVKIVEPLITTGPLAAMADAISK
LVLEH
Ligand information
Ligand IDLDP
InChIInChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChIKeyVYFYYTLLBUKUHU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCc1ccc(O)c(O)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1CCN)O)O
ACDLabs 10.04Oc1ccc(cc1O)CCN
FormulaC8 H11 N O2
NameL-DOPAMINE;
DOPAMINE
ChEMBLCHEMBL59
DrugBankDB00988
ZINCZINC000000033882
PDB chain2vq5 Chain B Residue 1197 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2vq5 Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		F80 M97 Y108 E110 P179 M183
Binding residue
(residue number reindexed from 1)		F41 M58 Y69 E71 P140 M144
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.78: Transferred entry: 3.5.99.14.
Gene Ontology
Biological Process
GO:0006952 defense response

View graph for
Biological Process
External links
PDB RCSB:2vq5, PDBe:2vq5, PDBj:2vq5
PDBsum2vq5
PubMed19004827
UniProtQ67A25|NCS_THLFG S-norcoclaurine synthase

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